4-[[4-[(1S)-cyclohex-3-en-1-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1S)-cyclohex-3-en-1-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(1S)-1-cyclohex-3-enyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H23N3O/c20-14-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)19(23)18-4-2-1-3-5-18/h1-2,6-9,18H,3-5,10-13,15H2/p+1/t18-/m1/s1